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Title: Exploring non-adiabatic approximations to the exchange–correlation functional of TDDFT

Abstract

Decomposition of the exact time-dependent exchange–correlation potential offers a new starting point to build approximations with memory.

Authors:
ORCiD logo [1];  [2];  [3]; ORCiD logo [2]
  1. Departamento de Física and IFIBA, FCEN, Universidad de Buenos Aires, Ciudad Universitaria, C1428EHA Ciudad de Buenos Aires
  2. Department of Physics and Astronomy, Hunter College and the Graduate Center of the City University of New York, New York, USA
  3. Max Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science, 22761 Hamburg, Germany
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1477207
Grant/Contract Number:  
SC0015344
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics Journal Volume: 20 Journal Issue: 41; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Fuks, Johanna I., Lacombe, Lionel, Nielsen, Søren E. B., and Maitra, Neepa T. Exploring non-adiabatic approximations to the exchange–correlation functional of TDDFT. United Kingdom: N. p., 2018. Web. doi:10.1039/C8CP03957G.
Fuks, Johanna I., Lacombe, Lionel, Nielsen, Søren E. B., & Maitra, Neepa T. Exploring non-adiabatic approximations to the exchange–correlation functional of TDDFT. United Kingdom. doi:10.1039/C8CP03957G.
Fuks, Johanna I., Lacombe, Lionel, Nielsen, Søren E. B., and Maitra, Neepa T. Wed . "Exploring non-adiabatic approximations to the exchange–correlation functional of TDDFT". United Kingdom. doi:10.1039/C8CP03957G.
@article{osti_1477207,
title = {Exploring non-adiabatic approximations to the exchange–correlation functional of TDDFT},
author = {Fuks, Johanna I. and Lacombe, Lionel and Nielsen, Søren E. B. and Maitra, Neepa T.},
abstractNote = {Decomposition of the exact time-dependent exchange–correlation potential offers a new starting point to build approximations with memory.},
doi = {10.1039/C8CP03957G},
journal = {Physical Chemistry Chemical Physics},
issn = {1463-9076},
number = 41,
volume = 20,
place = {United Kingdom},
year = {2018},
month = {10}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on October 2, 2019
Publisher's Accepted Manuscript

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